SCHEMBL4644446

SCHEMBL4644446

CC(C)(C)OOCC1CCCC(OOC(C)(C)C)C1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22588814 0.79 CYP1A2 (0.34)
SCHEMBL4455536 0.79 TSHR (0.33)
SCHEMBL22462275 0.75 CYP1A2 (0.38)
SCHEMBL16874375 0.75 CYP1A2 (0.38)
SCHEMBL139914 0.73
SCHEMBL11591251 0.73 TSHR (0.32)
SCHEMBL23002465 0.72 TSHR (0.35)
SCHEMBL321664 0.68 TSHR (0.35)
SCHEMBL27301 0.68 TSHR (0.35)
SCHEMBL23581990 0.68 TSHR (0.35)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9454094-B2 Magnetic toner CANON KABUSHIKI KAISHA (JP) 2016-09-27 US disclosed
US-20150309432-A1 MAGNETIC TONER CANON KABUSHIKI KAISHA (JP) 2015-10-29 US disclosed
EP-1176473-B1 Toner, image forming method, and process cartridge CANON KK (JP) 2008-08-06 EP disclosed
EP-1241531-B1 Toner, image forming method and process cartridge CANON KK (JP) 2006-01-11 EP disclosed
US-6653038-B2 Characterized by (a) containing a sulfur-containing polymer, especially with 2-acrylamido-2-methylpropanesulfonic acid units, and (b) showing tan delta values at 100 kHz assuming a maximum of 2.5 x 10-2 to 8 x 10-2 at 100-130 degrees C CANON KABUSHIKI KAISHA (JP) 2003-11-25 US disclosed
US-6593052-B2 Binder resin, a colorant, a sulfur-containing resin, and a wax; the binder resin containing a hybrid resin component containing a vinyl type polymer unit and a polyester unit CANON KABUSHIKI KAISHA (JP) 2003-07-15 US disclosed
US-20030044708-A1 Toner, image forming method and process cartridge CANON KABUSHIKI KAISHA (JP) 2003-03-06 US disclosed
EP-1241531-A2 Toner, image forming method and process cartridge CANON KABUSHIKI KAISHA (JP) 2002-09-18 EP disclosed
US-20020045120-A1 Toner, image forming method and process cartridge CANON KABUSHIKI KAISHA (JP) 2002-04-18 US disclosed
EP-1176473-A2 Toner, image forming method, and process cartridge CANON KABUSHIKI KAISHA (JP) 2002-01-30 EP disclosed